GD035806

Name:

6-acetyl-8-(acetyloxy)-14-({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-9-yl benzoate

Formula:

C56H82O24

Smiles:

CO[C@@H]1C[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4[C@@H](OC(=O)c5ccccc5)[C@@H](OC(C)=O)[C@]5(C)[C@@H](C(C)=O)CC[C@]56O[C@]46CC[C@@H]3C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](OC)[C@@H]1O

Aglycone:

CC(=O)OC1C(OC(=O)c2ccccc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(OC)C1O

Other Identifiers

• CHEMBL3360245
• CNP0077541

AD22635

Formula: C30H38O7

Smiles:

CC(=O)OC1C(OC(=O)c2ccccc2)C2C3(C)CCC(O)CC3CCC23OC32CCC(C(C)=O)C12C

HBA:	7	RingCount:	6
HBD:	1	FractionCSP3:	0.7
AlogP:	4.25	Num_rotatable_bonds:	4
MolWt:	510.63	Num_heavy_atoms:	37
TPSA:	102.43	NumAromaticRings:	1